3,7-bis(4-methylphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione

C20H18N2O3 — CID 4892798

IUPAC3,7-bis(4-methylphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione
SMILESCc1ccc(C2=NOC3(CC(=O)N(c4ccc(C)cc4)C3=O)C2)cc1
InChIInChI=1S/C20H18N2O3/c1-13-3-7-15(8-4-13)17-11-20(25-21-17)12-18(23)22(19(20)24)16-9-5-14(2)6-10-16/h3-10H,11-12H2,1-2H3
InChIKeyYSCJHISADVVFAX-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.13
Rot. Bonds2

About 3,7-bis(4-methylphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione

3,7-bis(4-methylphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione (PubChem CID 4892798) has the molecular formula C20H18N2O3 and a molecular weight of 334.38 g/mol. Its IUPAC name is 3,7-bis(4-methylphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione.

Molecular Properties

Compound Name3,7-bis(4-methylphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione
PubChem CID4892798
Molecular FormulaC20H18N2O3
Molecular Weight334.38 g/mol
Exact Mass334.13
IUPAC Name3,7-bis(4-methylphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione
SMILESCc1ccc(C2=NOC3(CC(=O)N(c4ccc(C)cc4)C3=O)C2)cc1
InChIInChI=1S/C20H18N2O3/c1-13-3-7-15(8-4-13)17-11-20(25-21-17)12-18(23)22(19(20)24)16-9-5-14(2)6-10-16/h3-10H,11-12H2,1-2H3
InChIKeyYSCJHISADVVFAX-UHFFFAOYSA-N
XLogP3.13
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,7-bis(4-methylphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione?
The IUPAC name of 3,7-bis(4-methylphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione (CID 4892798) is 3,7-bis(4-methylphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione.
What is the SMILES notation for 3,7-bis(4-methylphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione?
The canonical SMILES for 3,7-bis(4-methylphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione is Cc1ccc(C2=NOC3(CC(=O)N(c4ccc(C)cc4)C3=O)C2)cc1.
What is the InChIKey of 3,7-bis(4-methylphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione?
The InChIKey is YSCJHISADVVFAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3/c1-13-3-7-15(8-4-13)17-11-20(25-21-17)12-18(23)22(19(20)24)16-9-5-14(2)6-10-16/h3-10H,11-12H2,1-2H3.
What are the key properties of 3,7-bis(4-methylphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione?
3,7-bis(4-methylphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione has a molecular weight of 334.38 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-bis(4-methylphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione is sourced from PubChem (CID 4892798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).